DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:28 UTC
Update Date	2025-03-25 00:45:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149899
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₂OS
Molecular Mass	238.114
SMILES	CSCCC(N)C(=O)Nc1ccccc1C
InChI Key	OMIFKXPJUJVXGQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	methionine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids anilides carbonyl compounds carboxylic acids and derivatives dialkylthioethers fatty amides hydrocarbon derivatives monoalkylamines n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds toluenes
Substituents	fatty acyl monocyclic benzene moiety carbonyl group fatty amide n-arylamide organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound sulfenyl compound alpha-amino acid amide dialkylthioether carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound thioether methionine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound toluene organooxygen compound

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